3-chloro-N-methyl-N-(3-phenoxypropyl)propanamide

C13H18ClNO2 — CID 54874962

IUPAC3-chloro-N-methyl-N-(3-phenoxypropyl)propanamide
SMILESCN(CCCOc1ccccc1)C(=O)CCCl
InChIInChI=1S/C13H18ClNO2/c1-15(13(16)8-9-14)10-5-11-17-12-6-3-2-4-7-12/h2-4,6-7H,5,8-11H2,1H3
InChIKeyQAXQVYZYJADZGT-UHFFFAOYSA-N
MW255.75 g/mol
LogP2.54
Rot. Bonds7

About 3-chloro-N-methyl-N-(3-phenoxypropyl)propanamide

3-chloro-N-methyl-N-(3-phenoxypropyl)propanamide (PubChem CID 54874962) has the molecular formula C13H18ClNO2 and a molecular weight of 255.75 g/mol. Its IUPAC name is 3-chloro-N-methyl-N-(3-phenoxypropyl)propanamide.

Molecular Properties

Compound Name3-chloro-N-methyl-N-(3-phenoxypropyl)propanamide
PubChem CID54874962
Molecular FormulaC13H18ClNO2
Molecular Weight255.75 g/mol
Exact Mass255.10
IUPAC Name3-chloro-N-methyl-N-(3-phenoxypropyl)propanamide
SMILESCN(CCCOc1ccccc1)C(=O)CCCl
InChIInChI=1S/C13H18ClNO2/c1-15(13(16)8-9-14)10-5-11-17-12-6-3-2-4-7-12/h2-4,6-7H,5,8-11H2,1H3
InChIKeyQAXQVYZYJADZGT-UHFFFAOYSA-N
XLogP2.54
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-methyl-N-(3-phenoxypropyl)propanamide;hydrochloride
CID 119294025
N-(5-aminopentyl)-N-methyl-3-phenoxypropanamide
CID 107206604
N-methyl-N-(3-phenoxypropyl)acetamide
CID 60757278
N-methyl-N-(3-phenoxypropyl)-3-pyridin-4-ylpropanamide
CID 60508904
3-(2-aminophenyl)-N-methyl-N-(3-phenoxypropyl)propanamide
CID 120609279
5-hydroxy-N-methyl-N-(2-phenoxyethyl)pentanamide
CID 79199692
3-chloro-N-methyl-N-[2-(3-methylphenoxy)ethyl]propanamide
CID 54875471
N-methyl-2-[(2-methylpropan-2-yl)oxy]-N-(3-phenoxypropyl)acetamide
CID 115949786
4-chloro-N-[2-(4-chlorophenoxy)ethyl]-N-methylbutanamide
CID 63307950
2-amino-N-[2-[methyl(3-phenoxypropyl)amino]-2-oxoethyl]acetamide
CID 60944728
N-[3-[3-(4-chlorophenoxy)propyl-methylamino]-3-oxopropyl]benzamide
CID 55896935
2-chloro-N-[3-(4-fluorophenoxy)propyl]-N-methylacetamide
CID 54592497

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-methyl-N-(3-phenoxypropyl)propanamide?
The IUPAC name of 3-chloro-N-methyl-N-(3-phenoxypropyl)propanamide (CID 54874962) is 3-chloro-N-methyl-N-(3-phenoxypropyl)propanamide.
What is the SMILES notation for 3-chloro-N-methyl-N-(3-phenoxypropyl)propanamide?
The canonical SMILES for 3-chloro-N-methyl-N-(3-phenoxypropyl)propanamide is CN(CCCOc1ccccc1)C(=O)CCCl.
What is the InChIKey of 3-chloro-N-methyl-N-(3-phenoxypropyl)propanamide?
The InChIKey is QAXQVYZYJADZGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2/c1-15(13(16)8-9-14)10-5-11-17-12-6-3-2-4-7-12/h2-4,6-7H,5,8-11H2,1H3.
What are the key properties of 3-chloro-N-methyl-N-(3-phenoxypropyl)propanamide?
3-chloro-N-methyl-N-(3-phenoxypropyl)propanamide has a molecular weight of 255.75 g/mol, XLogP of 2.54, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-methyl-N-(3-phenoxypropyl)propanamide is sourced from PubChem (CID 54874962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).